O2-(4-bromophenyl) O1-heptyl benzene-1,2-dicarboxylate

Systemtic Name: O2-(4-bromophenyl) O1-heptyl benzene-1,2-dicarboxylate Openeye Name: O2-(4-bromophenyl) O1-heptyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(4-bromophenyl) ester O1-heptyl ester IUPAC Name: 2-O-(4-bromophenyl) 1-O-heptyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(4-bromophenyl) ester O1-heptyl ester Formula: C21H23BrO4 MolecularWeight: 419.30892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H23BrO4/c1-2-3-4-5-8-15-25-20(23)18-9-6-7-10-19(18)21(24)26-17-13-11-16(22)12-14-17/h6-7,9-14H,2-5,8,15H2,1H3